(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol

C9H18FNO — CID 153298446

IUPAC(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol
SMILESC[C@@H]1[C@H](O)[C@H](F)CN1C(C)(C)C
InChIInChI=1S/C9H18FNO/c1-6-8(12)7(10)5-11(6)9(2,3)4/h6-8,12H,5H2,1-4H3/t6-,7-,8+/m1/s1
InChIKeyIOQLIYZWOQCIEV-PRJMDXOYSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds

About (2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol

(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol (PubChem CID 153298446) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol
PubChem CID153298446
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol
SMILESC[C@@H]1[C@H](O)[C@H](F)CN1C(C)(C)C
InChIInChI=1S/C9H18FNO/c1-6-8(12)7(10)5-11(6)9(2,3)4/h6-8,12H,5H2,1-4H3/t6-,7-,8+/m1/s1
InChIKeyIOQLIYZWOQCIEV-PRJMDXOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol?
The IUPAC name of (2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol (CID 153298446) is (2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol.
What is the SMILES notation for (2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol?
The canonical SMILES for (2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol is C[C@@H]1[C@H](O)[C@H](F)CN1C(C)(C)C.
What is the InChIKey of (2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol?
The InChIKey is IOQLIYZWOQCIEV-PRJMDXOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-6-8(12)7(10)5-11(6)9(2,3)4/h6-8,12H,5H2,1-4H3/t6-,7-,8+/m1/s1.
What are the key properties of (2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol?
(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol is sourced from PubChem (CID 153298446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).